Vitas-M small molecule compound

(3a'S,6a'R)-5'-butyl-7-chloro-3'-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

Catalog ID
STK591285
SMILES CCCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2C)C(=O)Nc2c1cccc2Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C18H20ClN3O3 MW 361.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN3O3/c1-3-4-8-22-15(23)12-9(2)21-18(13(12)16(22)24)10-6-5-7-11(19)14(10)20-17(18)25/h5-7,9,12-13,21H,3-4,8H2,1-2H3,(H,20,25)/t9?,12-,13+,18?/m1/s1
InChIKey
RFJJEHFIBDNUEV-ZKCRBCPVSA-N
Synonyms
1212489-54-7
(3aR6aS)5butyl7chloro1methylspiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(3aS6aR)5butyl7chloro3methyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)5butyl7chloro3methyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1212489547
CCCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2C)C(=O)Nc2c1cccc2Cl
CCCCN1C(=O)C2C(NC3(C2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)C
InChI=1SC18H20ClN3O3c13482215(23)129(2)2118(13(12)16(22)24)1065711(19)14(10)2017(18)25h579121321H348H212H3(H2025)t9?1213+18?m1s1
MFCD06793384
ZINC000016025067
ZINC000020567013

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Available files

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